Chloroform → 4-[5-[2-Bromo-3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]-4-hydroxy-2,2-dimethylcyclohexane-1-carboxylic acid

HRID 2159163Notes

Reaction equation

HRID 2159163 reaction equation
[Br:36][NH:37][C:38](=[O:39])[CH2:40][CH2:41][C:42]([NH2:43])=[O:44].[CH:45]([Cl:46])([Cl:47])[Cl:48].[OH:1][C:2]1([c:13]2[s:14][c:15](-[c:18]3[cH:19][c:20]([CH3:35])[cH:21][c:22]([NH:24][c:25]4[n:26][cH:27][cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[n:30]4)[cH:23]3)[cH:16][n:17]2)[CH2:3][C:4]([CH3:11])([CH3:12])[CH:5]([C:8](=[O:9])[OH:10])[CH2:6][CH2:7]1>>[OH:1][C:2]1([c:13]2[s:14][c:15](-[c:18]3[c:19]([Br:36])[c:20]([CH3:35])[cH:21][c:22]([NH:24][c:25]4[n:26][cH:27][cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[n:30]4)[cH:23]3)[cH:16][n:17]2)[CH2:3][C:4]([CH3:11])([CH3:12])[CH:5]([C:8](=[O:9])[OH:10])[CH2:6][CH2:7]1

Participants

4

Reactant 3

HCID 6212ChloroformHCID 9834204N-BromosuccinamideHCID 759923334-Hydroxy-2,2-dimethyl-4-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid

Product 1

HCID 682182364-[5-[2-Bromo-3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]-4-hydroxy-2,2-dimethylcyclohexane-1-carboxylic acid

Sources & evidence

ORD record
ord-bde1f1ec8b3e4dfe913b8290553e9c95
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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